C301-6088 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

C301-6088 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide
C301-6088 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6088
N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C301-6088

Molecular Formula

C20H20F2N4O3 (C20 H20 F2 N4 O3)

Compound Name

N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

IUPAC name

N-[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-26-difluorobenzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c(c(F)ccc3)c3F)=O)c2N2CCOCC2)C1=O

InChI

InChI=1S/C20H20F2N4O3/c1-24-16-10-14(23-19(27)18-12(21)4-3-5-13(18)22)15(26-6-8-29-9-7-26)11-17(16)25(2)20(24)28/h3-5,10-11H,6-9H2,1-2H3,(H,23,27)

InChI Key

HURKKPMKXWJNHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

1.005

Water Solubility, LogSw

-3.42

Polar Surface Area

51.377

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C301-6088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-6088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6088?
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What is the minimum amount of C301-6088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6088
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C301-6088 available by request